(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-[(2-methoxyphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-[(2-methoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-[(2-methoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-o-anisyl-piperazin-4-ium-2-one Formula: C20H32N4O4+2 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C20H30N4O4/c1-28-18-5-3-2-4-16(18)15-24-7-6-21-20(27)17(24)14-19(26)23-10-8-22(9-11-23)12-13-25/h2-5,17,25H,6-15H2,1H3,(H,21,27)/p+2/t17-/m1/s1